MUMBAI, India, Sept. 28 -- Intellectual Property India has published a patent application (202521027393 A) filed by Tata Consultancy Services Limited on March 24, 2025, for Method And System For Computation Of Molecular Properties Via Quantum Autoencoders.
Inventors include Khandelwal, Ankit; Rajan, Nirmal Mammavalappil; and Chandra, Mariswamy Girish.
The application for the patent was published on September 25, 2026, under issue no. 39/2026.
Abstract: ABSTRACT METHOD AND SYSTEM FOR COMPUTATION OF MOLECULAR PROPERTIES VIA QUANTUM AUTOENCODERS A method and system for computation of molecular properties via quantum autoencoders is disclosed. The disclosure provides quantum machine learning-based method to compress molecular Hamiltonians and efficiently relevant property of a molecule given at a geometry, thereby significantly reducing resource requirements. The method disclosed leverages a quantum autoencoder which is trained using ground states corresponding to molecular geometries of the molecule and a classical optimizer. An n-quantum bit (qubit) transformed property operator of an n- qubit property operator is determined using the trained quantum autoencoder. Further, n-qubit transformed property operator is compressed by performing a series of Pauli term processing to obtain a m-qubit compressed property operator. Further, a relevant molecular property at the geometry is determined using a variational quantum eigen solver (VQE) or using compressed ground state. The present disclosure is used to determine any property of the molecule at a given geometry using a reduced resource requirement. [
Disclaimer: Curated by HT Syndication.
